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Molecule
Dichlorotetrakis[N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide-Κo1]Manganese
CAS: 75747-77-2 · C60H64Cl14MnN12O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 75747-77-2
- Molecular Formula
- C60H64Cl14MnN12O8
- Molecular Mass
- 1632.53 g/mol
Identifiers
CAS Registry Number
75747-77-2
SMILES
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.[Cl-].[Cl-].[Mn+2]
InChI Key
OXOKTPUZOHPXSA-UHFFFAOYSA-L
InChI
InChI=1S/4C15H16Cl3N3O2.2ClH.Mn/c4*1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;;;/h4*3,5,8-10H,2,4,6-7H2,1H3;2*1H;/q;;;;;;+2/p-2
Names and Synonyms
- Dichlorotetrakis[N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide-Κo1]Manganese Systematic Name
- Manganese, dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]- Synonym
- 1H-Imidazole-1-carboxamide, N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-, manganese complex Synonym
- Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese Synonym
- Prochloraz manganese(II) complex (4:1) Synonym
- Prochloraz manganese chloride complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1632.53 g/mol | CAS Common Chemistry |
| 1632.5279999999998 g/mol | RDKit | |
| 1632.528 g/mol | RDKit | |
| 1640.55 g/mol | chempirical lib | |
| Canonical SMILES | ClC=1C=C(Cl)C(OCCN(C(=O[Mn+2]([Cl-])([Cl-])(O=C(N2C=NC=C2)N(CCOC=3C(Cl)=CC(Cl)=CC3Cl)CCC)(O=C(N4C=NC=C4)N(CCOC=5C(Cl)=CC(Cl)=CC5Cl)CCC)O=C(N6C=NC=C6)N(CCOC=7C(Cl)=CC(Cl)=CC7Cl)CCC)N8C=NC=C8)CCC)=C(Cl)C1 | CAS Common Chemistry |
| InChI | InChI=1S/4C15H16Cl3N3O2.2ClH.Mn/c4*1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18;;;/h4*3,5,8-10H,2,4,6-7H2,1H3;2*1H;/q;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OXOKTPUZOHPXSA-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Dichlorotetrakis[N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]-1H-imidazole-1-carboxamide-κO1]manganese | CAS Common Chemistry |
| Heavy Atom Count | 95 | RDKit |
| Hydrogen Bond Acceptors | 16 | RDKit |
| 12 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 24 | RDKit |
| Aromatic Ring Count | 8 | RDKit |
| Topological Polar Surface Area | 189.44000000000005 Ų | RDKit |
| 189.44 Ų | RDKit | |
| LogP | 12.41509999999998 | RDKit |
| 12.4151 | RDKit | |
| Molar Refractivity | 367.4080000000011 cm³/mol | RDKit |
| Ring Count | 8 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| Exact Mass | 1624.9989896280003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 1632.53 g/mol. Edit any field — others recompute live.
